2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]propanamide

Systemtic Name: 2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]propanamide Openeye Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]propanamide CAS Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]propanamide IUPAC Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]propanamide Traditional Name: 2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)-N-(2-p-phenetylethyl)propionamide Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNC(=O)C(C)N2C(=O)CC(SC3=CC=CC=C32)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNC(=O)C(C)N2C(=O)CC(SC3=CC=CC=C32)(C)C

InChI

InChI=1S/C24H30N2O3S/c1-5-29-19-12-10-18(11-13-19)14-15-25-23(28)17(2)26-20-8-6-7-9-21(20)30-24(3,4)16-22(26)27/h6-13,17H,5,14-16H2,1-4H3,(H,25,28)